N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide

C17H18BrNO3 — CID 5008946

IUPACN-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)NCc2ccccc2)cc1OC
InChIInChI=1S/C17H18BrNO3/c1-3-22-16-14(18)9-13(10-15(16)21-2)17(20)19-11-12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyOMNOSJQVRJWBIA-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.79
Rot. Bonds6

About N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide

N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide (PubChem CID 5008946) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide
PubChem CID5008946
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC NameN-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)NCc2ccccc2)cc1OC
InChIInChI=1S/C17H18BrNO3/c1-3-22-16-14(18)9-13(10-15(16)21-2)17(20)19-11-12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyOMNOSJQVRJWBIA-UHFFFAOYSA-N
XLogP3.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-bromo-4,5-dimethoxybenzamide
CID 1008056
3-bromo-4-ethoxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916758
3-bromo-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-5-methoxybenzamide
CID 31449455
3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide
CID 26903200
3-bromo-N-[[2-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-5-methoxybenzamide
CID 26722982
3-bromo-4-ethoxy-5-methoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
CID 55727960
N-(2-amino-2-phenylethyl)-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119527394
3-bromo-4-ethoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide
CID 3579637
3-bromo-4-ethoxy-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26181168
3-bromo-5-ethoxy-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916792
3-bromo-5-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 7959624
3-bromo-N-[(4-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 7935461

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide?
The IUPAC name of N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide (CID 5008946) is N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide.
What is the SMILES notation for N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide?
The canonical SMILES for N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide is CCOc1c(Br)cc(C(=O)NCc2ccccc2)cc1OC.
What is the InChIKey of N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide?
The InChIKey is OMNOSJQVRJWBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-3-22-16-14(18)9-13(10-15(16)21-2)17(20)19-11-12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3,(H,19,20).
What are the key properties of N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide?
N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide has a molecular weight of 364.24 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide is sourced from PubChem (CID 5008946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).